N-[2-(1,3-benzothiazol-2-yl)propyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide

C20H19N3O2S — CID 86860597

IUPACN-[2-(1,3-benzothiazol-2-yl)propyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESCC(CNC(=O)c1ccc2c(c1)CCC(=O)N2)c1nc2ccccc2s1
InChIInChI=1S/C20H19N3O2S/c1-12(20-23-16-4-2-3-5-17(16)26-20)11-21-19(25)14-6-8-15-13(10-14)7-9-18(24)22-15/h2-6,8,10,12H,7,9,11H2,1H3,(H,21,25)(H,22,24)
InChIKeyRXUOHDAJKXPSIQ-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.71
Rot. Bonds4

About N-[2-(1,3-benzothiazol-2-yl)propyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide

N-[2-(1,3-benzothiazol-2-yl)propyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide (PubChem CID 86860597) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)propyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-yl)propyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
PubChem CID86860597
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC NameN-[2-(1,3-benzothiazol-2-yl)propyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESCC(CNC(=O)c1ccc2c(c1)CCC(=O)N2)c1nc2ccccc2s1
InChIInChI=1S/C20H19N3O2S/c1-12(20-23-16-4-2-3-5-17(16)26-20)11-21-19(25)14-6-8-15-13(10-14)7-9-18(24)22-15/h2-6,8,10,12H,7,9,11H2,1H3,(H,21,25)(H,22,24)
InChIKeyRXUOHDAJKXPSIQ-UHFFFAOYSA-N
XLogP3.71
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(1,3-benzothiazol-2-yl)propyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-amino-2-methylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 115271606
N-[2-(1,3-benzothiazol-2-yl)propyl]-3-methyl-4-nitrobenzamide
CID 86858155
N-(3-aminobutyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 103806261
N-(1H-benzimidazol-2-ylmethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 18105228
N-(2-hydroxypentyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 103770684
N-(2-methyl-1-phenylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 24625536
N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 8802288
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride
CID 119525966
N-[2-(1,3-benzothiazol-2-yl)propyl]-4-(imidazol-1-ylmethyl)benzamide
CID 86860575
N-[2-(1,3-benzothiazol-2-yl)propyl]-3-(tetrazol-1-yl)benzamide
CID 51127257
N-[2-(1,3-benzothiazol-2-yl)propyl]-4-ethoxy-3-nitrobenzamide
CID 86858118
N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 51926834

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-yl)propyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)propyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide (CID 86860597) is N-[2-(1,3-benzothiazol-2-yl)propyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)propyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)propyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide is CC(CNC(=O)c1ccc2c(c1)CCC(=O)N2)c1nc2ccccc2s1.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)propyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The InChIKey is RXUOHDAJKXPSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-12(20-23-16-4-2-3-5-17(16)26-20)11-21-19(25)14-6-8-15-13(10-14)7-9-18(24)22-15/h2-6,8,10,12H,7,9,11H2,1H3,(H,21,25)(H,22,24).
What are the key properties of N-[2-(1,3-benzothiazol-2-yl)propyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
N-[2-(1,3-benzothiazol-2-yl)propyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide has a molecular weight of 365.46 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzothiazol-2-yl)propyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide is sourced from PubChem (CID 86860597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).